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EVODEX.1-P6150

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@:6]([C:5]([S:4][C:3]([C:2]([N:1]([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([N:7]([H:11])[H:12])[H:14]>>[H][C:6]([C:5]([S:4][C:3]([C:2]([N:1]([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([N:7]([H:11])[H:12])[H:14]

Derived Operators

EVODEX.1-F55 - Elemental Balance

O-2
C-1

EVODEX.1-M14 - Mass Difference

-43.9898

EVODEX.1-E577 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6@:8](-[#7:9])(-[#6](=[#8])-[#8]-[H])-[H:16]>>[#6:7]-[#6:8](-[#7:9])(-[H:16])-[H]

EVODEX.1-C17 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](=[#8])-[#6:3]>>[H]-[#6:3]

EVODEX.1-N913 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6@:6](-[#6:5])(-[#7:7])-[H:17]>>[H]-[#6:6](-[#6:5])(-[#7:7])-[H:17]

EVODEX.1-Em722 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#6](=[#8])-[#6:6](-[#6:5])-[#7:7]>>[H]-[#6:6](-[#6:5])-[#7:7]

EVODEX.1-Cm30 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#6:6]>>[H]-[#6:6]

EVODEX.1-Nm651 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#6](=[#8])-[#6:6](-[#6:5])-[#7:7]>>[H]-[#6:6](-[#6:5])-[#7:7]

Source Full Reactions

EVODEX.1-R6751

Full Reaction Rendering

[H][O:10][C:8]([C@:6]([C:5]([S:4][C:3]([C:2]([N:1]([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([N:7]([H:11])[H:12])[H:14])=[O:9]>>[C:8](=[O:9])=[O:10].[H][C:6]([C:5]([S:4][C:3]([C:2]([N:1]([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([N:7]([H:11])[H:12])[H:14]